1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide

C17H20N4O2 — CID 138995763

IUPAC1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCn1cc(CCC(=O)N2CC(C(N)=O)Cc3ccccc32)cn1
InChIInChI=1S/C17H20N4O2/c1-20-10-12(9-19-20)6-7-16(22)21-11-14(17(18)23)8-13-4-2-3-5-15(13)21/h2-5,9-10,14H,6-8,11H2,1H3,(H2,18,23)
InChIKeyAHBKQMXULBYVFA-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.04
Rot. Bonds4

About 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide

1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 138995763) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
PubChem CID138995763
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCn1cc(CCC(=O)N2CC(C(N)=O)Cc3ccccc32)cn1
InChIInChI=1S/C17H20N4O2/c1-20-10-12(9-19-20)6-7-16(22)21-11-14(17(18)23)8-13-4-2-3-5-15(13)21/h2-5,9-10,14H,6-8,11H2,1H3,(H2,18,23)
InChIKeyAHBKQMXULBYVFA-UHFFFAOYSA-N
XLogP1.04
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-8-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 99829279
1-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
CID 139000239
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 122156323
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480
3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 167943243
1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 124590081
(3R)-1,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 97094696
3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15542921

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
The IUPAC name of 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide (CID 138995763) is 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide.
What is the SMILES notation for 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
The canonical SMILES for 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide is Cn1cc(CCC(=O)N2CC(C(N)=O)Cc3ccccc32)cn1.
What is the InChIKey of 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
The InChIKey is AHBKQMXULBYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-10-12(9-19-20)6-7-16(22)21-11-14(17(18)23)8-13-4-2-3-5-15(13)21/h2-5,9-10,14H,6-8,11H2,1H3,(H2,18,23).
What are the key properties of 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide?
1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 138995763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).